GLYCAM06: A generalizable biomolecular force field. Carbohydrates

N. Kirschner, Karl; B. Yongye, Austin; M. Tschampel, Sarah; González‐Outeiriño, Jorge; R. Daniels, Charlisa; Lachele Foley, B.; J. Woods, Robert

doi:10.1002/jcc.20820

Public

GLYCAM06: A generalizable biomolecular force field. Carbohydrates

Published in Journal of Computational Chemistry • Sep 11, 2007

Authors:

Karl N. Kirschner

Austin B. Yongye

Sarah M. Tschampel

Abstract

A new derivation of the GLYCAM06 force field, which removes its previous specificity for carbohydrates, and its dependency on the AMBER force field and parameters, is presented. All pertinent force field terms have been explicitly specified and so no default or generic parameters are employed. The n...

Subject

Dihedral angle

Force field (fiction)

Conformational isomerism

Research Assistant

AI chat, annotations, notes & similar papers

Finding related papers...

Discussions

(0)

No comments yet

Be the first to share your thoughts!